3-Benzyloxybenzaldehyde - CAS 1700-37-4

Name: 3-Benzyloxybenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012603
Product Name:	3-Benzyloxybenzaldehyde
CAS:	1700-37-4
Synonyms:	3-phenylmethoxybenzaldehyde

Technical Data

IUPAC Name:	3-phenylmethoxybenzaldehyde
Description:	3-Benzyloxybenzaldehyde (CAS# 1700-37-4) is a reactant in the synthesis of novel 7-aminoalkyl-substituted flavonoid derivatives with cholinesterase inhibitory activity, for treatment of Alzheimer's disease.
Molecular Weight:	212.24
Molecular Formula:	C14H12O2
Canonical SMILES:	C1=CC=C(C=C1)COC2=CC=CC(=C2)C=O
InChI:	InChI=1S/C14H12O2/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-10H,11H2
InChI Key:	JAICGBJIBWDEIZ-UHFFFAOYSA-N
Boiling Point:	180 °C / 0.08 mmHg
Melting Point:	55-59 °C
Purity:	98 %
Density:	1.142 g/cm³
Appearance:	White to light beige fine crystalline powder
Storage:	Store in a cool, dry place. Keep container closed when not in use.
MDL:	MFCD00003367
LogP:	3.07810

Publication Number	Title	Priority Date
CN-112321513-A	Heterocyclic compound and preparation method and application thereof	20201106
WO-2021174046-A1	Gpr40 agonists	20200228
WO-2021174048-A1	Gpr40 agonists	20200228
JP-2021103957-A	Agricultural water retention material	20191226
JP-2021103958-A	Agricultural water retention material	20191226

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.083729621
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	212.083729621
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3